CID 114487

3-butoxy-2-hydroxypropyl acrylate

Structural Information

Molecular Formula

C₁₀H₁₈O₄

SMILES

CCCCOCC(COC(=O)C=C)O

InChI

InChI=1S/C10H18O4/c1-3-5-6-13-7-9(11)8-14-10(12)4-2/h4,9,11H,2-3,5-8H2,1H3

InChIKey

AZNUOOZUBQUQJV-UHFFFAOYSA-N

Compound name

(3-butoxy-2-hydroxypropyl) prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 475
Patents: 202.12051 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	203.12779	147.2
[M+Na]+	225.10973	154.9
[M+NH4]+	220.15433	152.5
[M+K]+	241.08367	150.9
[M-H]-	201.11323	144.1
[M+Na-2H]-	223.09518	147.8
[M]+	202.11996	146.9
[M]-	202.12106	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe